2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione

C44H44FN9O6 — CID 177361968

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione (PubChem CID 177361968) has the molecular formula C44H44FN9O6 and a molecular weight of 813.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione
• PubChem CID: 177361968
• Molecular Formula: C44H44FN9O6
• Molecular Weight: 813.89 g/mol
• Exact Mass: 813.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione
• SMILES: Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CCC6(CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)cc4)cc3C2)cnc2c1NCCO2
• InChI: InChI=1S/C44H44FN9O6/c1-25-35(21-48-41-39(25)46-11-15-60-41)51-12-8-27-20-47-36(17-28(27)22-51)49-29-4-2-26(3-5-29)16-38(56)53-14-10-44(24-53)9-13-52(23-44)34-19-31-30(18-32(34)45)42(58)54(43(31)59)33-6-7-37(55)50-40(33)57/h2-5,17-21,33,46H,6-16,22-24H2,1H3,(H,47,49)(H,50,55,57)
• InChIKey: ROIQSQWAKOYGRX-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 169.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.89
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione (CID 177361968) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione is Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CCC6(CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)cc4)cc3C2)cnc2c1NCCO2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione?

The InChIKey is ROIQSQWAKOYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44FN9O6/c1-25-35(21-48-41-39(25)46-11-15-60-41)51-12-8-27-20-47-36(17-28(27)22-51)49-29-4-2-26(3-5-29)16-38(56)53-14-10-44(24-53)9-13-52(23-44)34-19-31-30(18-32(34)45)42(58)54(43(31)59)33-6-7-37(55)50-40(33)57/h2-5,17-21,33,46H,6-16,22-24H2,1H3,(H,47,49)(H,50,55,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione has a molecular weight of 813.89 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[2-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]isoindole-1,3-dione is sourced from PubChem (CID 177361968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).